2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine

C16H25NO2 — CID 114471739

IUPAC2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)CCOc1c(C)cccc1CNCCOC
InChIInChI=1S/C16H25NO2/c1-13(2)8-10-19-16-14(3)6-5-7-15(16)12-17-9-11-18-4/h5-7,17H,1,8-12H2,2-4H3
InChIKeyDKEHIFNVHMIIDW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds9

About 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine (PubChem CID 114471739) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
PubChem CID114471739
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)CCOc1c(C)cccc1CNCCOC
InChIInChI=1S/C16H25NO2/c1-13(2)8-10-19-16-14(3)6-5-7-15(16)12-17-9-11-18-4/h5-7,17H,1,8-12H2,2-4H3
InChIKeyDKEHIFNVHMIIDW-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
CID 113473481
N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610300
N-[[2-[(E)-but-2-enoxy]-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610273
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
2-methoxy-N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115954443
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine (CID 114471739) is 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine is C=C(C)CCOc1c(C)cccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine?
The InChIKey is DKEHIFNVHMIIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)8-10-19-16-14(3)6-5-7-15(16)12-17-9-11-18-4/h5-7,17H,1,8-12H2,2-4H3.
What are the key properties of 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).